1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole

C26H26N2O2 — CID 16999616

IUPAC1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-29-22-14-16-23(17-15-22)30-20-8-7-19-28-25-12-6-5-11-24(25)27-26(28)18-13-21-9-3-2-4-10-21/h2-6,9-18H,7-8,19-20H2,1H3/b18-13+
InChIKeyCJGDKAXOAUJVEI-QGOAFFKASA-N
MW398.51 g/mol
LogP6.07
Rot. Bonds9

About 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole

1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 16999616) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID16999616
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-29-22-14-16-23(17-15-22)30-20-8-7-19-28-25-12-6-5-11-24(25)27-26(28)18-13-21-9-3-2-4-10-21/h2-6,9-18H,7-8,19-20H2,1H3/b18-13+
InChIKeyCJGDKAXOAUJVEI-QGOAFFKASA-N
XLogP6.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole (CID 16999616) is 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole is COc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is CJGDKAXOAUJVEI-QGOAFFKASA-N. The full InChI is InChI=1S/C26H26N2O2/c1-29-22-14-16-23(17-15-22)30-20-8-7-19-28-25-12-6-5-11-24(25)27-26(28)18-13-21-9-3-2-4-10-21/h2-6,9-18H,7-8,19-20H2,1H3/b18-13+.
What are the key properties of 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 398.51 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 16999616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).